(2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C16H17BrO6 — CID 91438456

IUPAC(2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@](O)(c2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H17BrO6/c17-11-4-2-8-5-10(3-1-9(8)6-11)16(22)15(21)14(20)13(19)12(7-18)23-16/h1-6,12-15,18-22H,7H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyKSAJHZQRUHIRIF-IBEHDNSVSA-N
MW385.21 g/mol
LogP0.22
Rot. Bonds2

About (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 91438456) has the molecular formula C16H17BrO6 and a molecular weight of 385.21 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID91438456
Molecular FormulaC16H17BrO6
Molecular Weight385.21 g/mol
Exact Mass384.02
IUPAC Name(2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@](O)(c2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H17BrO6/c17-11-4-2-8-5-10(3-1-9(8)6-11)16(22)15(21)14(20)13(19)12(7-18)23-16/h1-6,12-15,18-22H,7H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyKSAJHZQRUHIRIF-IBEHDNSVSA-N
XLogP0.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 50.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R,5S,6R)-2-[7-bromo-6-[(4-ethylphenyl)methyl]-2,3-dihydro-1H-inden-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71078421
(2S,3R,4R,5S,6R)-2-[4-bromo-3-[(4-ethylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 85473268
(2R,3S,4S,5S,6R)-2-[(R)-[4-(4-bromo-3,5-difluorophenyl)-2-methylphenyl]-hydroxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 146296585
(2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol
CID 73350461
(2R,3S,4S,5S,6R)-2-[(S)-[4-(4-bromo-3,5-difluorophenyl)-2-methylphenyl]-hydroxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 178304273
Naphthyl xyloside
CID 21126107
(2S,3R,4S,5S,6S)-6-[bromo(hydroxy)methyl]-3-naphthalen-1-yloxane-2,3,4,5-tetrol
CID 57001505
(2S,3R,4S,5R,6S)-6-[bromo(hydroxy)methyl]-3-naphthalen-1-yloxane-2,3,4,5-tetrol
CID 57280442
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-(2,2,2-trifluoroethoxy)oxane-2,3,4,5-tetrol
CID 57163765
(2R,5S)-2-[(R)-[4-(4-bromo-3,5-difluorophenyl)-2-methylphenyl]-hydroxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 148160767
(2R,4S,5S)-2-[(R)-[4-(4-bromo-3,5-difluorophenyl)-2-methylphenyl]-hydroxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 155768060
(2R,3S,4S,5S,6R)-2-[[4-(4-bromo-3,5-difluorophenyl)-2-methylphenyl]-hydroxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169742703

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 91438456) is (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1O[C@](O)(c2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is KSAJHZQRUHIRIF-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H17BrO6/c17-11-4-2-8-5-10(3-1-9(8)6-11)16(22)15(21)14(20)13(19)12(7-18)23-16/h1-6,12-15,18-22H,7H2/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 385.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 91438456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).