[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene

C128H130O14 — CID 90294885

IUPAC[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene
SMILESC[C@@H]([C@H](OCc1ccccc1)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](COC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](COC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C128H130O14/c1-99(83-141-127(111-71-39-13-40-72-111,112-73-41-14-42-74-112)113-75-43-15-44-76-113)122(136-89-106-61-29-8-30-62-106)100(2)117(131-84-101-51-19-3-20-52-101)94-129-95-118(132-85-102-53-21-4-22-54-102)123(137-90-107-63-31-9-32-64-107)124(138-91-108-65-33-10-34-66-108)119(133-86-103-55-23-5-24-56-103)96-130-97-120(134-87-104-57-25-6-26-58-104)125(139-92-109-67-35-11-36-68-109)126(140-93-110-69-37-12-38-70-110)121(135-88-105-59-27-7-28-60-105)98-142-128(114-77-45-16-46-78-114,115-79-47-17-48-80-115)116-81-49-18-50-82-116/h3-82,99-100,117-126H,83-98H2,1-2H3/t99-,100-,117-,118+,119+,120-,121-,122-,123+,124+,125-,126-/m1/s1
InChIKeyBCFPONMDYPPYSU-MQRBISMDSA-N
MW1892.43 g/mol
LogP26.16
Rot. Bonds59

About [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene

[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene (PubChem CID 90294885) has the molecular formula C128H130O14 and a molecular weight of 1892.43 g/mol. Its IUPAC name is [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene
PubChem CID90294885
Molecular FormulaC128H130O14
Molecular Weight1892.43 g/mol
Exact Mass1890.95
IUPAC Name[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene
SMILESC[C@@H]([C@H](OCc1ccccc1)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](COC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](COC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C128H130O14/c1-99(83-141-127(111-71-39-13-40-72-111,112-73-41-14-42-74-112)113-75-43-15-44-76-113)122(136-89-106-61-29-8-30-62-106)100(2)117(131-84-101-51-19-3-20-52-101)94-129-95-118(132-85-102-53-21-4-22-54-102)123(137-90-107-63-31-9-32-64-107)124(138-91-108-65-33-10-34-66-108)119(133-86-103-55-23-5-24-56-103)96-130-97-120(134-87-104-57-25-6-26-58-104)125(139-92-109-67-35-11-36-68-109)126(140-93-110-69-37-12-38-70-110)121(135-88-105-59-27-7-28-60-105)98-142-128(114-77-45-16-46-78-114,115-79-47-17-48-80-115)116-81-49-18-50-82-116/h3-82,99-100,117-126H,83-98H2,1-2H3/t99-,100-,117-,118+,119+,120-,121-,122-,123+,124+,125-,126-/m1/s1
InChIKeyBCFPONMDYPPYSU-MQRBISMDSA-N
XLogP26.16
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds59
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.43
LogP ≤ 526.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene with MolForge

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Related Compounds

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[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene
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Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene?
The IUPAC name of [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene (CID 90294885) is [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene.
What is the SMILES notation for [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene?
The canonical SMILES for [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene is C[C@@H]([C@H](OCc1ccccc1)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](COC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](COC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene?
The InChIKey is BCFPONMDYPPYSU-MQRBISMDSA-N. The full InChI is InChI=1S/C128H130O14/c1-99(83-141-127(111-71-39-13-40-72-111,112-73-41-14-42-74-112)113-75-43-15-44-76-113)122(136-89-106-61-29-8-30-62-106)100(2)117(131-84-101-51-19-3-20-52-101)94-129-95-118(132-85-102-53-21-4-22-54-102)123(137-90-107-63-31-9-32-64-107)124(138-91-108-65-33-10-34-66-108)119(133-86-103-55-23-5-24-56-103)96-130-97-120(134-87-104-57-25-6-26-58-104)125(139-92-109-67-35-11-36-68-109)126(140-93-110-69-37-12-38-70-110)121(135-88-105-59-27-7-28-60-105)98-142-128(114-77-45-16-46-78-114,115-79-47-17-48-80-115)116-81-49-18-50-82-116/h3-82,99-100,117-126H,83-98H2,1-2H3/t99-,100-,117-,118+,119+,120-,121-,122-,123+,124+,125-,126-/m1/s1.
What are the key properties of [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene?
[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene has a molecular weight of 1892.43 g/mol, XLogP of 26.16, 59 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene is sourced from PubChem (CID 90294885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).