(2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

C114H118O20S — CID 91367785

IUPAC(2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESOC1[C@@H](OC2[C@@H](OC3[C@@H](OC4[C@@H](Sc5ccccc5)OC(COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)OC(COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C114H118O20S/c115-99-104(124-74-90-56-30-9-31-57-90)100(120-70-86-48-22-5-23-49-86)95(78-116-66-82-40-14-1-15-41-82)128-111(99)132-108-105(125-75-91-58-32-10-33-59-91)101(121-71-87-50-24-6-25-51-87)96(79-117-67-83-42-16-2-17-43-83)129-112(108)133-109-106(126-76-92-60-34-11-35-61-92)102(122-72-88-52-26-7-27-53-88)97(80-118-68-84-44-18-3-19-45-84)130-113(109)134-110-107(127-77-93-62-36-12-37-63-93)103(123-73-89-54-28-8-29-55-89)98(81-119-69-85-46-20-4-21-47-85)131-114(110)135-94-64-38-13-39-65-94/h1-65,95-115H,66-81H2/t95?,96?,97?,98?,99?,100-,101+,102-,103-,104+,105-,106-,107-,108?,109?,110?,111-,112-,113-,114-/m1/s1
InChIKeyUCEXKQBWWZBYCA-WFMDCTCBSA-N
MW1840.24 g/mol
LogP19.75
Rot. Bonds48

About (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

(2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 91367785) has the molecular formula C114H118O20S and a molecular weight of 1840.24 g/mol. Its IUPAC name is (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
PubChem CID91367785
Molecular FormulaC114H118O20S
Molecular Weight1840.24 g/mol
Exact Mass1838.79
IUPAC Name(2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESOC1[C@@H](OC2[C@@H](OC3[C@@H](OC4[C@@H](Sc5ccccc5)OC(COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)OC(COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C114H118O20S/c115-99-104(124-74-90-56-30-9-31-57-90)100(120-70-86-48-22-5-23-49-86)95(78-116-66-82-40-14-1-15-41-82)128-111(99)132-108-105(125-75-91-58-32-10-33-59-91)101(121-71-87-50-24-6-25-51-87)96(79-117-67-83-42-16-2-17-43-83)129-112(108)133-109-106(126-76-92-60-34-11-35-61-92)102(122-72-88-52-26-7-27-53-88)97(80-118-68-84-44-18-3-19-45-84)130-113(109)134-110-107(127-77-93-62-36-12-37-63-93)103(123-73-89-54-28-8-29-55-89)98(81-119-69-85-46-20-4-21-47-85)131-114(110)135-94-64-38-13-39-65-94/h1-65,95-115H,66-81H2/t95?,96?,97?,98?,99?,100-,101+,102-,103-,104+,105-,106-,107-,108?,109?,110?,111-,112-,113-,114-/m1/s1
InChIKeyUCEXKQBWWZBYCA-WFMDCTCBSA-N
XLogP19.75
TPSA195.60 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds48
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001840.24
LogP ≤ 519.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol with MolForge

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Related Compounds

(2R,4S,5R)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 140511309
(2S,4R,5S)-2-[(2S,4S,5S)-2-[(2S,4S,5S)-2-[(2S,4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 146034547
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-ol
CID 10721223
(2S,3S,4S,5R,6R)-3-[(2S,3S,4S,5R,6R)-3-[(2S,3S,4S,5R,6R)-3-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 87498109
(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol
CID 154007896
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 73113637
(2S,3S,4R,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 101410206
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 10994846
[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 177424295
(2S,3R,4S,5S,6R)-2-phenylsulfanyl-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 132967079
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
(2S,3R,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11513699

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (CID 91367785) is (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is OC1[C@@H](OC2[C@@H](OC3[C@@H](OC4[C@@H](Sc5ccccc5)OC(COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)OC(COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is UCEXKQBWWZBYCA-WFMDCTCBSA-N. The full InChI is InChI=1S/C114H118O20S/c115-99-104(124-74-90-56-30-9-31-57-90)100(120-70-86-48-22-5-23-49-86)95(78-116-66-82-40-14-1-15-41-82)128-111(99)132-108-105(125-75-91-58-32-10-33-59-91)101(121-71-87-50-24-6-25-51-87)96(79-117-67-83-42-16-2-17-43-83)129-112(108)133-109-106(126-76-92-60-34-11-35-61-92)102(122-72-88-52-26-7-27-53-88)97(80-118-68-84-44-18-3-19-45-84)130-113(109)134-110-107(127-77-93-62-36-12-37-63-93)103(123-73-89-54-28-8-29-55-89)98(81-119-69-85-46-20-4-21-47-85)131-114(110)135-94-64-38-13-39-65-94/h1-65,95-115H,66-81H2/t95?,96?,97?,98?,99?,100-,101+,102-,103-,104+,105-,106-,107-,108?,109?,110?,111-,112-,113-,114-/m1/s1.
What are the key properties of (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
(2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 1840.24 g/mol, XLogP of 19.75, 48 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-[(2R,4R,5S)-2-[(2R,4R,5R)-2-[(2R,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 91367785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).