(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol

C27H32O5 — CID 11048386

IUPAC(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
SMILESC[C@@H](O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C27H32O5/c1-21(29)26(31-19-23-13-7-3-8-14-23)27(32-20-24-15-9-4-10-16-24)25(17-28)30-18-22-11-5-2-6-12-22/h2-16,21,25-29H,17-20H2,1H3/t21-,25-,26+,27+/m1/s1
InChIKeyBVFSCMMTVZNJBK-YICISRLPSA-N
MW436.55 g/mol
LogP4.12
Rot. Bonds13

About (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol

(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol (PubChem CID 11048386) has the molecular formula C27H32O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
PubChem CID11048386
Molecular FormulaC27H32O5
Molecular Weight436.55 g/mol
Exact Mass436.22
IUPAC Name(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
SMILESC[C@@H](O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C27H32O5/c1-21(29)26(31-19-23-13-7-3-8-14-23)27(32-20-24-15-9-4-10-16-24)25(17-28)30-18-22-11-5-2-6-12-22/h2-16,21,25-29H,17-20H2,1H3/t21-,25-,26+,27+/m1/s1
InChIKeyBVFSCMMTVZNJBK-YICISRLPSA-N
XLogP4.12
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
2-methyl-4-phenylmethoxyhexane-1,3,5-triol
CID 123316682
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
(2S,3R,4R,5S,6S,7S,8R,9S,10R,11R)-2,3,4,6,7,8,9,10,11,12-decakis(phenylmethoxy)dodecane-1,5-diol
CID 10653976
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(2-tritioethoxy)hexan-1-ol
CID 158026470
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
CID 10024186
(2R,3S,4S,5R)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanoyl fluoride
CID 90726684

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol?
The IUPAC name of (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol (CID 11048386) is (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol is C[C@@H](O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol?
The InChIKey is BVFSCMMTVZNJBK-YICISRLPSA-N. The full InChI is InChI=1S/C27H32O5/c1-21(29)26(31-19-23-13-7-3-8-14-23)27(32-20-24-15-9-4-10-16-24)25(17-28)30-18-22-11-5-2-6-12-22/h2-16,21,25-29H,17-20H2,1H3/t21-,25-,26+,27+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol?
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol has a molecular weight of 436.55 g/mol, XLogP of 4.12, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol is sourced from PubChem (CID 11048386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).